4-methylsulfanyl-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]benzamide

Systemtic Name: 4-methylsulfanyl-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]benzamide Openeye Name: 4-methylsulfanyl-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]benzamide CAS Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-4-(methylthio)benzamide IUPAC Name: 4-methylsulfanyl-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]benzamide Traditional Name: N-[2-(4-mesyl-2-nitro-anilino)ethyl]-4-(methylthio)benzamide Formula: C17H19N3O5S2 MolecularWeight: 409.47986

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O5S2/c1-26-13-5-3-12(4-6-13)17(21)19-10-9-18-15-8-7-14(27(2,24)25)11-16(15)20(22)23/h3-8,11,18H,9-10H2,1-2H3,(H,19,21)